logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


ENAMINE-ZINC06590092

 MMsINC code: MMs01681210
Type: Neutral
Formula: C24H25NO5
SMILES:   O1CCN(CC1)C(c1c2cc(OC)ccc2ccc1O)c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C24H25NO5/c1-28-19-9-7-16-8-10-21(26)22(20(16)15-19)23(25-11-13-30-14-12-25)17-3-5-18(6-4-17)24(27)29-2/h3-10,15,23,26H,11-14H2,1-2H3/t23-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=150.731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.466 g/mol  logS: -5.26375  SlogP: 3.8577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217693  Sterimol/B1: 2.33623  Sterimol/B2: 2.50329  Sterimol/B3: 7.50747
  Sterimol/B4: 9.70037  Sterimol/L: 16.6612 
 
 Surface and Volume Properties
  Accessible surface: 663.014  Positive charged surface: 485.974  Negative charged surface: 168.871  Volume: 389.875
  Hydrophobic surface: 576.901  Hydrophilic surface: 86.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01681211
ENAMINE-ZINC06590092